{"paper":{"title":"Systematic dynamical mean-field theory study of 3d perovskite oxides with uniform Coulomb interactions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"Charge self-consistent eDMFT with uniform Coulomb values matches photoemission spectra across many 3d perovskite oxides.","cross_cats":[],"primary_cat":"cond-mat.str-el","authors_text":"Antik Sihi, Caden Ginter, Kristjan Haule, Subhasish Mandal","submitted_at":"2026-05-16T02:49:13Z","abstract_excerpt":"Strongly correlated transition-metal perovskite oxides pose a fundamental challenge for electronic-structure theory and for large-scale, data-driven materials discovery. While DFT+DMFT provides a quantitatively accurate description of such systems, its high-throughput application is hindered by the need to determine material-specific Coulomb interaction parameters ($U$). First-principles approaches such as the cRPA predict a highly nonlinear and non-transferable evolution of the interaction strength across chemically similar ABO$_3$ perovskites. Here we show that this paradigm does not extend "},"claims":{"count":4,"items":[{"kind":"strongest_claim","text":"Our results establish that charge self-consistent eDMFT enables robust, parameter-tuning-free high-throughput many-body calculations for correlated oxides, opening a practical pathway toward predictive electronic-structure databases for strongly correlated materials.","source":"verdict.strongest_claim","status":"machine_extracted","claim_id":"C1","attestation":"unclaimed"},{"kind":"weakest_assumption","text":"The self-consistently screened Coulomb interactions naturally fall within relatively narrow ranges for correlated metals and insulators (as shown by recent constrained-eDMFT calculations), allowing the use of uniform U=6 eV and U=10 eV values across chemically similar ABO3 compounds.","source":"verdict.weakest_assumption","status":"machine_extracted","claim_id":"C2","attestation":"unclaimed"},{"kind":"one_line_summary","text":"Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).","source":"verdict.one_line_summary","status":"machine_extracted","claim_id":"C3","attestation":"unclaimed"},{"kind":"headline","text":"Charge self-consistent eDMFT with uniform Coulomb values matches photoemission spectra across many 3d perovskite oxides.","source":"verdict.pith_extraction.headline","status":"machine_extracted","claim_id":"C4","attestation":"unclaimed"}],"snapshot_sha256":"8e7dd25196b68f904c940b546024c285073c2f5298b45a40c1144beaa5266df1"},"source":{"id":"2605.16771","kind":"arxiv","version":1},"verdict":{"id":"36d911c3-b5cc-42c5-85f8-90c29b9b6c99","model_set":{"reader":"grok-4.3"},"created_at":"2026-05-19T20:46:27.577185Z","strongest_claim":"Our results establish that charge self-consistent eDMFT enables robust, parameter-tuning-free high-throughput many-body calculations for correlated oxides, opening a practical pathway toward predictive electronic-structure databases for strongly correlated materials.","one_line_summary":"Charge self-consistent eDMFT with uniform U=6 eV for metals and U=10 eV for insulators yields spectral functions in excellent agreement with photoemission experiments across ABO3 compounds (A=Ca,Sr,La; B=V-Ni).","pipeline_version":"pith-pipeline@v0.9.0","weakest_assumption":"The self-consistently screened Coulomb interactions naturally fall within relatively narrow ranges for correlated metals and insulators (as shown by recent constrained-eDMFT calculations), allowing the use of uniform U=6 eV and U=10 eV values across chemically similar ABO3 compounds.","pith_extraction_headline":"Charge self-consistent eDMFT with uniform Coulomb values matches photoemission spectra across many 3d perovskite oxides."},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2605.16771/integrity.json","findings":[],"available":true,"detectors_run":[{"name":"doi_compliance","ran_at":"2026-05-19T21:01:27.387358Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"doi_title_agreement","ran_at":"2026-05-19T21:01:19.270705Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"claim_evidence","ran_at":"2026-05-19T19:01:56.310388Z","status":"completed","version":"1.0.0","findings_count":0},{"name":"ai_meta_artifact","ran_at":"2026-05-19T18:33:26.444500Z","status":"skipped","version":"1.0.0","findings_count":0}],"snapshot_sha256":"16f45fb54c73625d0d07c8d0790771aea4bc3ea08a91adfe616d723b7f99361f"},"references":{"count":120,"sample":[{"doi":"","year":2000,"title":"A. S. Bhalla, R. Guo, and R. Roy, Materials research innovations4, 3 (2000)","work_id":"9a33f09c-51e2-4abe-96eb-b08fa1bdba7c","ref_index":1,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":1915,"title":"J. B. Goodenough, Reports on Progress in Physics67, 1915 (2004). 8","work_id":"daee939f-1980-419a-afb2-53f33fc11fd8","ref_index":2,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":1981,"title":"M. A. Pe˜ na and J. Fierro, Chemical reviews101, 1981 (2001)","work_id":"bdfdca3c-e668-4bd6-acee-2ae437906b5d","ref_index":3,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":1988,"title":"J. G. Bednorz and K. A. M¨ uller, Reviews of Modern Physics60, 585 (1988)","work_id":"6e036803-11d4-48ed-a653-f7d35caa4656","ref_index":4,"cited_arxiv_id":"","is_internal_anchor":false},{"doi":"","year":2010,"title":"J. Mannhart and D. G. 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